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CHEBI:229647 - gepirone(1+)

ChEBI IDCHEBI:229647
ChEBI Namegepirone(1+)
Stars
DefinitionA tertiary ammonium ion that is conjugate acid of gepirone resulting from the protonation of the piperazine nitrogen; Major species at pH 7.3.
Last Modified19 February 2024
SubmitterAdnan
DownloadsMolfile
FormulaC19H30N5O2
Net Charge+1
Average Mass360.482
Monoisotopic Mass360.23940
SMILESCC1(C)CC(=O)N(CCCC[NH+]2CCN(c3ncccn3)CC2)C(=O)C1
InChIInChI=1S/C19H29N5O2/c1-19(2)14-16(25)24(17(26)15-19)9-4-3-8-22-10-12-23(13-11-22)18-20-6-5-7-21-18/h5-7H,3-4,8-15H2,1-2H3/p+1
InChIKeyQOIGKGMMAGJZNZ-UHFFFAOYSA-O
ChEBI Ontology
Outgoing Relation(s)
gepirone(1+) (CHEBI:229647) is a tertiary ammonium ion (CHEBI:137982)
gepirone(1+) (CHEBI:229647) is conjugate acid of gepirone (CHEBI:135990)
Incoming Relation(s)
gepirone hydrochloride (CHEBI:229646) has part gepirone(1+) (CHEBI:229647)
gepirone (CHEBI:135990) is conjugate base of gepirone(1+) (CHEBI:229647)
IUPAC Name 
1-[4-(4,4-dimethyl-2,6-dioxopiperidin-1-yl)butyl]-4-(pyrimidin-2-yl)piperazin-1-ium
Synonym  Source
gepirone cationChEBI